2-fluoro-6-methyl-N-(3-piperazin-1-ylpropyl)benzenesulfonamide;dihydrochloride

C14H24Cl2FN3O2S — CID 120706459

IUPAC2-fluoro-6-methyl-N-(3-piperazin-1-ylpropyl)benzenesulfonamide;dihydrochloride
SMILESCc1cccc(F)c1S(=O)(=O)NCCCN1CCNCC1.Cl.Cl
InChIInChI=1S/C14H22FN3O2S.2ClH/c1-12-4-2-5-13(15)14(12)21(19,20)17-6-3-9-18-10-7-16-8-11-18;;/h2,4-5,16-17H,3,6-11H2,1H3;2*1H
InChIKeyVNGIDMWWSPKGLZ-UHFFFAOYSA-N
MW388.34 g/mol
LogP1.55
Rot. Bonds6

About 2-fluoro-6-methyl-N-(3-piperazin-1-ylpropyl)benzenesulfonamide;dihydrochloride

2-fluoro-6-methyl-N-(3-piperazin-1-ylpropyl)benzenesulfonamide;dihydrochloride (PubChem CID 120706459) has the molecular formula C14H24Cl2FN3O2S and a molecular weight of 388.34 g/mol. Its IUPAC name is 2-fluoro-6-methyl-N-(3-piperazin-1-ylpropyl)benzenesulfonamide;dihydrochloride.

Molecular Properties

Compound Name2-fluoro-6-methyl-N-(3-piperazin-1-ylpropyl)benzenesulfonamide;dihydrochloride
PubChem CID120706459
Molecular FormulaC14H24Cl2FN3O2S
Molecular Weight388.34 g/mol
Exact Mass387.10
IUPAC Name2-fluoro-6-methyl-N-(3-piperazin-1-ylpropyl)benzenesulfonamide;dihydrochloride
SMILESCc1cccc(F)c1S(=O)(=O)NCCCN1CCNCC1.Cl.Cl
InChIInChI=1S/C14H22FN3O2S.2ClH/c1-12-4-2-5-13(15)14(12)21(19,20)17-6-3-9-18-10-7-16-8-11-18;;/h2,4-5,16-17H,3,6-11H2,1H3;2*1H
InChIKeyVNGIDMWWSPKGLZ-UHFFFAOYSA-N
XLogP1.55
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-2,6-dimethyl-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 120706430
3-fluoro-4-methyl-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 43607069
2-fluoro-3-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 120707517
methyl 2-fluoro-6-(3-piperazin-1-ylpropylsulfamoyl)benzoate;dihydrochloride
CID 119994378
4-fluoro-3,5-dimethyl-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 119994706
4-chloro-2-methyl-N-(3-piperazin-1-ylpropyl)benzenesulfonamide;dihydrochloride
CID 119994425
2,4,6-trifluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 119966401
3-fluoro-2-nitro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 119966171
N-[2-(ethylamino)ethyl]-2-fluoro-6-methylbenzenesulfonamide;hydrochloride
CID 120708897
4-bromo-2-methyl-N-(3-piperazin-1-ylpropyl)benzenesulfonamide;dihydrochloride
CID 120706365
2,6-dichloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 120999799
4-iodo-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 43607064

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methyl-N-(3-piperazin-1-ylpropyl)benzenesulfonamide;dihydrochloride?
The IUPAC name of 2-fluoro-6-methyl-N-(3-piperazin-1-ylpropyl)benzenesulfonamide;dihydrochloride (CID 120706459) is 2-fluoro-6-methyl-N-(3-piperazin-1-ylpropyl)benzenesulfonamide;dihydrochloride.
What is the SMILES notation for 2-fluoro-6-methyl-N-(3-piperazin-1-ylpropyl)benzenesulfonamide;dihydrochloride?
The canonical SMILES for 2-fluoro-6-methyl-N-(3-piperazin-1-ylpropyl)benzenesulfonamide;dihydrochloride is Cc1cccc(F)c1S(=O)(=O)NCCCN1CCNCC1.Cl.Cl.
What is the InChIKey of 2-fluoro-6-methyl-N-(3-piperazin-1-ylpropyl)benzenesulfonamide;dihydrochloride?
The InChIKey is VNGIDMWWSPKGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O2S.2ClH/c1-12-4-2-5-13(15)14(12)21(19,20)17-6-3-9-18-10-7-16-8-11-18;;/h2,4-5,16-17H,3,6-11H2,1H3;2*1H.
What are the key properties of 2-fluoro-6-methyl-N-(3-piperazin-1-ylpropyl)benzenesulfonamide;dihydrochloride?
2-fluoro-6-methyl-N-(3-piperazin-1-ylpropyl)benzenesulfonamide;dihydrochloride has a molecular weight of 388.34 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methyl-N-(3-piperazin-1-ylpropyl)benzenesulfonamide;dihydrochloride is sourced from PubChem (CID 120706459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).